(2-ethenylfuran-3-yl)methyl acetate

C9H10O3 — CID 174677957

IUPAC(2-ethenylfuran-3-yl)methyl acetate
SMILESC=Cc1occc1COC(C)=O
InChIInChI=1S/C9H10O3/c1-3-9-8(4-5-11-9)6-12-7(2)10/h3-5H,1,6H2,2H3
InChIKeyBFSGMMKMTNQBML-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.99
Rot. Bonds3

About (2-ethenylfuran-3-yl)methyl acetate

(2-ethenylfuran-3-yl)methyl acetate (PubChem CID 174677957) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2-ethenylfuran-3-yl)methyl acetate.

Molecular Properties

Compound Name(2-ethenylfuran-3-yl)methyl acetate
PubChem CID174677957
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(2-ethenylfuran-3-yl)methyl acetate
SMILESC=Cc1occc1COC(C)=O
InChIInChI=1S/C9H10O3/c1-3-9-8(4-5-11-9)6-12-7(2)10/h3-5H,1,6H2,2H3
InChIKeyBFSGMMKMTNQBML-UHFFFAOYSA-N
XLogP1.99
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylfuran-3-yl)methyl acetate
CID 71480019
[2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate
CID 178173989
[3-(acetyloxymethyl)furan-2-yl]methyl-trimethylazanium iodide
CID 132789511
[3,7,8-tris(acetyloxymethyl)phenazin-2-yl]methyl acetate
CID 2748014
ethane;(2-methylphenyl)methyl acetate
CID 143177732
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
(2-propylphenyl)methyl acetate
CID 18363688
acetic acid;3-(hydroxymethyl)furan-2-carbaldehyde
CID 126623280
[2-(dihydroxymethyl)furan-3-yl]methyl N-methylcarbamate
CID 173422015
chloroethene;ethyl acetate
CID 19771492
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
2,5-dimethylfuran;ethyl acetate
CID 174830713

Frequently Asked Questions

What is the IUPAC name of (2-ethenylfuran-3-yl)methyl acetate?
The IUPAC name of (2-ethenylfuran-3-yl)methyl acetate (CID 174677957) is (2-ethenylfuran-3-yl)methyl acetate.
What is the SMILES notation for (2-ethenylfuran-3-yl)methyl acetate?
The canonical SMILES for (2-ethenylfuran-3-yl)methyl acetate is C=Cc1occc1COC(C)=O.
What is the InChIKey of (2-ethenylfuran-3-yl)methyl acetate?
The InChIKey is BFSGMMKMTNQBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-3-9-8(4-5-11-9)6-12-7(2)10/h3-5H,1,6H2,2H3.
What are the key properties of (2-ethenylfuran-3-yl)methyl acetate?
(2-ethenylfuran-3-yl)methyl acetate has a molecular weight of 166.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylfuran-3-yl)methyl acetate is sourced from PubChem (CID 174677957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).